N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H14N2O3 — CID 13416955

IUPACN-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CC2C=CC1C2
InChIInChI=1S/C14H14N2O3/c17-14(13-8-9-1-2-10(13)7-9)15-11-3-5-12(6-4-11)16(18)19/h1-6,9-10,13H,7-8H2,(H,15,17)
InChIKeyCPJQIDHVNFFDAH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds3

About N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 13416955) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID13416955
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CC2C=CC1C2
InChIInChI=1S/C14H14N2O3/c17-14(13-8-9-1-2-10(13)7-9)15-11-3-5-12(6-4-11)16(18)19/h1-6,9-10,13H,7-8H2,(H,15,17)
InChIKeyCPJQIDHVNFFDAH-UHFFFAOYSA-N
XLogP2.75
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-nitroanilino)-2-oxoethyl] (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11913966
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103602356
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
(1R,2R,3R,4R)-3-[(4-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124717587
(4-nitrophenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86066030
(1R,2S,3R,4S)-3-[(4-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11880212
(1R,2S,4S)-N-(3-nitrophenyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
CID 98514187
(1R,2R,4S)-N-(3-nitrophenyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
CID 98514185
(1S,2S,4S)-N-[4-(ethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99803971
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
CID 143474550

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 13416955) is N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC2C=CC1C2.
What is the InChIKey of N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is CPJQIDHVNFFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(13-8-9-1-2-10(13)7-9)15-11-3-5-12(6-4-11)16(18)19/h1-6,9-10,13H,7-8H2,(H,15,17).
What are the key properties of N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 13416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).